==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 12-DEC-11 2LMV . COMPND 2 MOLECULE: CALMODULIN-RELATED PROTEIN 97A; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR M.K.JOSHI,S.T.MORAN,K.M.BECKINGHAM,K.R.MACKENZIE . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 6 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 49.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 1 0 0 1 3 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A S 0 0 79 0, 0.0 68,-0.1 0, 0.0 69,-0.0 0.000 360.0 360.0 360.0 171.6 -0.4 2.1 4.3 2 3 A E + 0 0 29 2,-0.0 2,-0.3 6,-0.0 85,-0.1 -0.153 360.0 151.8-159.3 51.6 0.8 5.7 4.2 3 4 A L - 0 0 15 1,-0.1 69,-0.0 4,-0.1 65,-0.0 -0.711 39.6-125.4 -90.2 138.4 -2.1 8.1 4.0 4 5 A T > - 0 0 52 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 0.008 33.6 -91.7 -70.0-177.6 -1.8 11.6 5.5 5 6 A E H > S+ 0 0 181 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.934 127.4 41.6 -63.4 -48.0 -4.1 13.2 8.1 6 7 A E H > S+ 0 0 149 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.898 116.6 49.3 -67.1 -41.5 -6.4 14.8 5.5 7 8 A Q H > S+ 0 0 51 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.919 110.4 50.1 -64.3 -45.6 -6.3 11.7 3.2 8 9 A I H X S+ 0 0 72 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.950 113.8 44.2 -58.1 -51.2 -7.1 9.4 6.1 9 10 A A H X S+ 0 0 60 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.705 109.8 62.1 -66.9 -19.3 -10.1 11.5 7.2 10 11 A E H X S+ 0 0 93 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.973 114.6 26.6 -72.4 -56.6 -11.0 11.8 3.5 11 12 A F H X S+ 0 0 0 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.760 118.3 61.7 -79.0 -24.4 -11.7 8.1 2.7 12 13 A K H X S+ 0 0 91 -4,-2.2 4,-1.9 -5,-0.4 -1,-0.2 0.875 105.9 47.1 -66.6 -37.1 -12.5 7.4 6.3 13 14 A D H X S+ 0 0 93 -4,-1.2 4,-1.4 1,-0.2 -2,-0.2 0.955 113.0 46.6 -67.0 -50.7 -15.4 9.8 6.0 14 15 A A H < S+ 0 0 3 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.658 110.2 59.5 -64.8 -14.5 -16.5 8.3 2.7 15 16 A F H >< S+ 0 0 5 -4,-0.8 3,-0.9 2,-0.2 -1,-0.2 0.917 104.7 43.7 -80.1 -47.8 -16.1 5.0 4.5 16 17 A V H >< S+ 0 0 72 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.720 100.2 75.3 -69.7 -20.5 -18.6 5.6 7.3 17 18 A Q T 3< S+ 0 0 91 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.846 98.9 43.6 -59.0 -35.5 -20.9 7.0 4.6 18 19 A F T < S+ 0 0 51 -3,-0.9 9,-0.4 -4,-0.5 -1,-0.3 -0.251 91.8 93.7-105.9 44.2 -21.7 3.5 3.5 19 20 A D X + 0 0 29 -3,-1.4 3,-0.6 7,-0.1 5,-0.2 -0.560 30.0 143.2-135.3 70.4 -22.1 1.9 6.9 20 21 A K T 3 + 0 0 170 1,-0.2 -1,-0.1 -2,-0.1 6,-0.1 0.752 69.9 67.0 -78.2 -25.9 -25.8 1.9 7.9 21 22 A E T 3 S- 0 0 150 4,-0.2 -1,-0.2 -3,-0.1 5,-0.1 0.614 101.6-133.3 -70.3 -11.8 -25.5 -1.4 9.6 22 23 A G S < S+ 0 0 62 -3,-0.6 -2,-0.1 -6,-0.1 -1,-0.1 0.681 72.4 123.3 66.5 17.2 -23.3 0.3 12.1 23 24 A T S S- 0 0 72 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.307 80.0-122.4 -90.4 8.2 -20.8 -2.6 11.8 24 25 A G S S+ 0 0 37 1,-0.2 40,-0.6 -5,-0.2 2,-0.3 0.717 80.3 108.0 57.9 19.6 -18.0 -0.2 10.9 25 26 A K E -A 63 0A 60 38,-0.1 2,-0.4 -9,-0.1 -2,-0.3 -0.914 60.8-142.7-128.2 154.5 -17.7 -2.2 7.7 26 27 A I E -A 62 0A 2 36,-1.6 36,-1.2 -2,-0.3 -7,-0.1 -0.968 30.1-108.0-120.6 129.3 -18.6 -1.6 4.1 27 28 A A E > -A 61 0A 31 -2,-0.4 3,-2.1 -9,-0.4 4,-0.4 -0.237 21.9-130.6 -53.2 134.9 -19.9 -4.3 1.7 28 29 A T T 3 S+ 0 0 0 32,-1.1 4,-0.4 1,-0.3 3,-0.4 0.683 109.2 64.6 -61.2 -17.2 -17.3 -5.4 -0.8 29 30 A R T 3 S+ 0 0 181 31,-0.4 4,-0.3 1,-0.2 -1,-0.3 0.680 100.6 49.5 -78.8 -19.1 -20.1 -4.8 -3.4 30 31 A E S <> S+ 0 0 76 -3,-2.1 4,-2.2 1,-0.1 -1,-0.2 0.416 85.6 93.1 -97.3 -2.1 -20.1 -1.1 -2.6 31 32 A L H > S+ 0 0 0 -3,-0.4 4,-2.0 -4,-0.4 3,-0.2 0.952 85.8 46.9 -55.6 -54.8 -16.3 -0.9 -2.9 32 33 A G H > S+ 0 0 10 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.877 111.8 51.9 -56.1 -39.4 -16.4 0.1 -6.5 33 34 A T H > S+ 0 0 52 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.858 107.7 52.3 -65.4 -36.0 -19.1 2.7 -5.7 34 35 A L H X S+ 0 0 1 -4,-2.2 4,-0.7 -3,-0.2 -1,-0.2 0.861 105.0 55.2 -68.5 -36.6 -16.9 4.1 -2.9 35 36 A M H >< S+ 0 0 1 -4,-2.0 3,-0.8 1,-0.2 5,-0.3 0.901 106.8 50.2 -62.3 -42.0 -13.9 4.5 -5.3 36 37 A R H 3< S+ 0 0 199 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.838 107.1 55.2 -63.9 -33.4 -16.1 6.6 -7.6 37 38 A T H 3< S+ 0 0 71 -4,-1.3 2,-0.3 -5,-0.1 -1,-0.3 0.674 110.0 58.5 -72.6 -16.9 -17.0 8.6 -4.5 38 39 A L S << S- 0 0 16 -3,-0.8 -27,-0.0 -4,-0.7 -28,-0.0 -0.768 101.6-103.0-114.0 157.2 -13.3 9.2 -4.0 39 40 A G S S+ 0 0 78 -2,-0.3 -3,-0.1 2,-0.0 -4,-0.1 0.603 93.7 104.5 -53.0 -9.9 -10.7 10.7 -6.3 40 41 A Q - 0 0 27 -5,-0.3 -2,-0.1 -6,-0.2 31,-0.0 -0.053 48.5-175.4 -66.3 174.5 -9.6 7.1 -7.0 41 42 A N - 0 0 145 2,-0.0 -5,-0.1 0, 0.0 -2,-0.0 -0.221 8.1-170.5-173.0 67.9 -10.4 5.2 -10.2 42 43 A P - 0 0 24 0, 0.0 -7,-0.0 0, 0.0 -6,-0.0 -0.330 33.3 -99.0 -67.9 148.1 -9.4 1.5 -10.2 43 44 A T > - 0 0 106 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.253 32.8-109.8 -64.7 154.3 -9.5 -0.5 -13.4 44 45 A E H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.936 119.7 48.1 -49.6 -55.1 -12.5 -2.7 -14.0 45 46 A A H > S+ 0 0 58 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 107.3 57.3 -53.6 -46.0 -10.4 -5.9 -13.6 46 47 A E H >> S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.938 107.3 46.4 -51.4 -54.5 -8.9 -4.5 -10.4 47 48 A L H 3X S+ 0 0 15 -4,-2.1 4,-2.4 1,-0.3 5,-0.3 0.890 111.5 52.3 -56.9 -40.9 -12.2 -4.1 -8.7 48 49 A Q H 3X S+ 0 0 114 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.3 0.793 111.1 49.4 -66.2 -27.6 -13.3 -7.6 -9.8 49 50 A D H X S+ 0 0 107 -4,-1.7 3,-1.3 1,-0.2 4,-0.5 0.955 112.6 44.6 -66.6 -51.7 -11.2 -12.0 -3.2 54 55 A A H 3X S+ 0 0 5 -4,-2.4 4,-1.4 1,-0.3 -1,-0.2 0.655 104.0 68.7 -67.3 -14.9 -12.9 -10.2 -0.3 55 56 A E H 3< S+ 0 0 106 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.777 114.7 24.8 -74.3 -27.3 -16.1 -12.1 -1.3 56 57 A N H << S+ 0 0 119 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.2 0.251 128.4 47.4-118.3 7.8 -14.6 -15.4 -0.1 57 58 A N H < S+ 0 0 98 -4,-0.5 -3,-0.2 -5,-0.1 -2,-0.2 0.467 124.4 26.4-123.0 -12.7 -12.1 -13.9 2.4 58 59 A N S >< S- 0 0 33 -4,-1.4 3,-2.0 -5,-0.2 2,-1.8 0.020 95.9-127.5-140.5 27.2 -14.4 -11.5 4.2 59 60 A N T 3 S- 0 0 151 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 -0.394 76.3 -40.1 62.0 -85.2 -17.8 -13.2 3.8 60 61 A G T 3 S+ 0 0 29 -2,-1.8 -32,-1.1 1,-0.1 -31,-0.4 0.343 120.0 79.1-151.9 -3.0 -19.6 -10.1 2.4 61 62 A Q E < -A 27 0A 46 -3,-2.0 2,-0.3 -34,-0.2 -34,-0.2 -0.820 59.3-148.2-115.1 154.9 -18.3 -7.2 4.5 62 63 A L E -A 26 0A 3 -36,-1.2 -36,-1.6 -2,-0.3 2,-0.3 -0.857 12.2-132.7-119.6 156.2 -15.1 -5.2 4.3 63 64 A N E >> -A 25 0A 58 -2,-0.3 4,-2.6 -38,-0.2 3,-0.5 -0.743 25.4-112.9-111.3 156.4 -13.0 -3.4 7.0 64 65 A F H 3> S+ 0 0 66 -40,-0.6 4,-2.8 -2,-0.3 5,-0.2 0.875 122.7 50.6 -48.1 -41.6 -11.5 0.0 7.2 65 66 A T H 3> S+ 0 0 97 2,-0.2 4,-2.5 3,-0.2 -1,-0.3 0.845 108.6 51.9 -66.7 -36.2 -8.1 -1.7 7.1 66 67 A E H <> S+ 0 0 64 -3,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.972 115.5 39.1 -64.7 -55.0 -9.2 -3.7 4.0 67 68 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 3,-0.4 0.958 118.7 47.8 -59.2 -54.2 -10.3 -0.7 2.1 68 69 A C H X S+ 0 0 9 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.921 104.7 61.7 -52.8 -49.3 -7.4 1.5 3.3 69 70 A G H X S+ 0 0 39 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.898 110.5 39.1 -43.8 -50.7 -4.9 -1.3 2.5 70 71 A I H X S+ 0 0 25 -4,-1.6 4,-2.6 -3,-0.4 5,-0.3 0.955 110.2 57.8 -66.8 -51.4 -5.9 -1.1 -1.1 71 72 A M H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.843 106.0 54.6 -45.9 -36.5 -6.1 2.7 -1.2 72 73 A A H X S+ 0 0 10 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.967 108.1 44.5 -63.2 -55.0 -2.5 2.5 -0.0 73 74 A K H < S+ 0 0 107 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.801 117.6 48.5 -61.0 -28.6 -1.3 0.4 -2.9 74 75 A Q H >< S+ 0 0 26 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.889 104.7 55.9 -77.7 -42.2 -3.3 2.6 -5.2 75 76 A M H >< S+ 0 0 26 -4,-2.9 3,-2.4 1,-0.3 -2,-0.2 0.731 83.4 88.0 -62.1 -22.8 -2.0 5.9 -3.8 76 77 A R T 3< + 0 0 28 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.1 0.652 61.1 91.0 -51.4 -15.0 1.5 4.5 -4.6 77 78 A E T < S+ 0 0 149 -3,-1.7 2,-0.6 1,-0.1 -1,-0.3 0.689 77.9 71.4 -56.0 -16.7 0.9 6.1 -8.0 78 79 A T < - 0 0 75 -3,-2.4 -1,-0.1 1,-0.1 2,-0.1 -0.909 63.1-170.6-108.1 113.8 2.6 9.2 -6.4 79 80 A D + 0 0 92 -2,-0.6 2,-0.1 4,-0.0 66,-0.1 -0.139 28.1 159.8 -93.0 38.0 6.3 8.9 -5.7 80 81 A T > - 0 0 44 1,-0.1 4,-0.7 -2,-0.1 3,-0.1 -0.392 43.1-138.0 -63.5 135.1 6.4 12.1 -3.7 81 82 A E H > S+ 0 0 102 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.729 97.8 65.1 -66.5 -23.4 9.5 12.3 -1.4 82 83 A E H > S+ 0 0 157 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.972 99.3 47.5 -64.5 -56.0 7.3 13.7 1.4 83 84 A E H > S+ 0 0 33 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.712 109.2 60.2 -59.2 -19.3 5.1 10.6 1.9 84 85 A M H X S+ 0 0 0 -4,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.939 99.8 50.7 -74.7 -49.9 8.4 8.7 1.9 85 86 A R H X S+ 0 0 164 -4,-1.7 4,-1.6 -3,-0.3 -2,-0.2 0.902 110.5 51.2 -54.8 -43.2 10.0 10.4 4.9 86 87 A E H X S+ 0 0 88 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.911 110.8 48.0 -60.4 -42.4 6.8 9.7 6.8 87 88 A A H X S+ 0 0 2 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.738 104.6 62.4 -69.8 -23.1 7.0 6.1 5.8 88 89 A F H X S+ 0 0 24 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.898 104.7 45.2 -69.0 -41.6 10.7 6.1 6.8 89 90 A K H < S+ 0 0 132 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.878 115.2 48.1 -68.7 -39.1 9.9 6.9 10.5 90 91 A I H < S+ 0 0 99 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.914 116.5 42.1 -68.2 -44.5 7.1 4.3 10.5 91 92 A F H < S+ 0 0 12 -4,-2.5 2,-0.8 -5,-0.1 -2,-0.2 0.970 94.7 82.4 -67.7 -55.7 9.2 1.5 9.0 92 93 A D < - 0 0 10 -4,-2.4 7,-0.1 -5,-0.2 -1,-0.1 -0.339 65.5-163.7 -55.3 99.1 12.4 2.2 10.9 93 94 A R S S+ 0 0 115 -2,-0.8 -1,-0.2 7,-0.1 2,-0.2 0.827 73.7 51.5 -55.9 -33.1 11.6 0.3 14.1 94 95 A D S S- 0 0 90 4,-0.4 3,-0.3 1,-0.1 4,-0.0 -0.529 81.3-130.1-101.7 170.1 14.4 2.2 15.8 95 96 A G S S+ 0 0 83 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.335 83.3 99.3-100.5 5.4 15.2 5.9 16.0 96 97 A D S S- 0 0 87 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.872 97.3-112.4 -58.7 -39.1 18.8 5.5 14.9 97 98 A G S S+ 0 0 25 1,-0.4 40,-0.4 -3,-0.3 2,-0.3 0.583 82.4 87.7 114.1 17.1 17.9 6.4 11.4 98 99 A F - 0 0 81 38,-0.1 2,-0.4 39,-0.1 -1,-0.4 -0.988 61.7-136.4-145.1 152.6 18.5 3.2 9.6 99 100 A I B -B 135 0B 1 36,-1.3 36,-1.7 -2,-0.3 -7,-0.1 -0.912 15.9-160.8-114.3 138.2 16.5 0.0 8.7 100 101 A S >> - 0 0 34 -2,-0.4 4,-2.2 34,-0.2 3,-0.6 -0.802 37.5-102.4-114.6 156.1 17.8 -3.6 9.0 101 102 A P H 3> S+ 0 0 40 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.833 124.4 54.0 -41.8 -39.6 16.5 -6.8 7.3 102 103 A A H 3> S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.944 109.4 45.0 -61.7 -50.2 14.9 -7.6 10.7 103 104 A E H <> S+ 0 0 15 -3,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.784 108.5 61.2 -64.5 -28.4 13.1 -4.3 10.9 104 105 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 3,-0.3 0.968 109.2 37.1 -65.0 -55.5 12.0 -4.8 7.2 105 106 A R H X S+ 0 0 103 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.888 111.2 62.4 -64.3 -38.8 10.1 -8.0 7.7 106 107 A F H X S+ 0 0 119 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.2 0.869 112.7 36.1 -54.5 -39.4 8.8 -6.8 11.1 107 108 A V H >X S+ 0 0 2 -4,-1.5 4,-2.5 -3,-0.3 3,-0.7 0.930 111.4 57.5 -80.1 -49.7 7.1 -3.9 9.3 108 109 A M H 3X>S+ 0 0 9 -4,-2.6 5,-2.0 1,-0.3 4,-1.7 0.833 110.1 47.7 -50.0 -35.5 6.0 -5.7 6.1 109 110 A I H 3<5S+ 0 0 97 -4,-2.4 -1,-0.3 3,-0.2 -2,-0.2 0.812 108.6 54.8 -75.9 -31.2 4.2 -8.2 8.3 110 111 A N H <<5S+ 0 0 91 -4,-0.7 -2,-0.2 -3,-0.7 -1,-0.2 0.907 109.7 45.8 -67.8 -43.3 2.6 -5.3 10.3 111 112 A L H <5S- 0 0 72 -4,-2.5 -2,-0.2 2,-0.1 -1,-0.2 0.920 124.1-100.2 -66.3 -45.3 1.1 -3.7 7.2 112 113 A G T <5S+ 0 0 26 -4,-1.7 2,-0.9 -5,-0.3 -3,-0.2 0.334 79.9 129.3 137.9 -0.2 -0.2 -7.0 5.8 113 114 A E < - 0 0 119 -5,-2.0 2,-0.6 -6,-0.2 -1,-0.2 -0.745 49.2-147.1 -88.6 104.6 2.5 -8.0 3.2 114 115 A K + 0 0 174 -2,-0.9 2,-0.3 -5,-0.1 -5,-0.1 -0.602 34.0 158.2 -74.0 113.7 3.5 -11.6 3.9 115 116 A V - 0 0 33 -2,-0.6 2,-0.2 -10,-0.2 -6,-0.0 -0.960 35.0-126.7-138.4 155.2 7.2 -11.9 3.0 116 117 A T > - 0 0 70 -2,-0.3 4,-2.2 1,-0.1 5,-0.3 -0.659 29.9-112.8 -99.2 156.8 10.2 -14.1 3.8 117 118 A D H > S+ 0 0 73 -2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.728 116.4 56.4 -58.7 -21.4 13.6 -13.0 5.0 118 119 A E H > S+ 0 0 152 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.963 108.1 40.9 -76.3 -55.4 15.0 -14.1 1.7 119 120 A E H > S+ 0 0 91 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.883 118.9 47.5 -61.7 -39.4 12.8 -12.1 -0.7 120 121 A I H X S+ 0 0 2 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.855 105.4 59.4 -71.2 -34.9 13.1 -9.0 1.5 121 122 A D H X S+ 0 0 86 -4,-1.2 4,-1.7 -5,-0.3 3,-0.2 0.914 106.6 47.5 -59.0 -43.8 16.9 -9.4 1.9 122 123 A E H X S+ 0 0 129 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.903 105.8 58.3 -63.9 -42.2 17.2 -9.1 -1.9 123 124 A M H X S+ 0 0 34 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.836 105.4 51.7 -56.6 -34.0 15.0 -6.1 -2.0 124 125 A I H X S+ 0 0 6 -4,-1.5 4,-2.0 -3,-0.2 3,-0.4 0.927 106.0 52.2 -68.9 -46.1 17.4 -4.4 0.4 125 126 A R H < S+ 0 0 160 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.815 105.3 58.0 -59.6 -31.5 20.4 -5.1 -1.8 126 127 A E H < S+ 0 0 120 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.889 116.3 32.3 -67.0 -40.6 18.6 -3.5 -4.7 127 128 A A H < S+ 0 0 0 -4,-1.2 2,-0.8 -3,-0.4 -2,-0.2 0.597 106.5 84.4 -91.2 -13.6 18.2 -0.2 -2.9 128 129 A D < + 0 0 8 -4,-2.0 -1,-0.1 1,-0.2 7,-0.1 -0.810 41.6 154.6 -96.0 106.7 21.5 -0.6 -1.0 129 130 A F S S+ 0 0 164 -2,-0.8 -1,-0.2 1,-0.1 -4,-0.0 0.756 70.1 60.9 -98.9 -32.9 24.4 0.6 -3.2 130 131 A D S S- 0 0 91 4,-0.1 -1,-0.1 2,-0.0 -2,-0.1 0.668 102.0-134.5 -69.3 -15.5 26.8 1.5 -0.4 131 132 A G + 0 0 40 -6,-0.1 -2,-0.1 3,-0.1 -6,-0.0 0.979 63.6 122.9 58.4 84.9 26.7 -2.2 0.6 132 133 A D S S- 0 0 78 2,-0.2 3,-0.1 0, 0.0 -1,-0.1 0.352 77.7-110.8-147.7 -9.6 26.4 -2.2 4.4 133 134 A G S S+ 0 0 36 1,-0.3 2,-0.3 -9,-0.1 -8,-0.1 0.682 87.2 97.4 80.1 18.2 23.2 -4.2 5.1 134 135 A M - 0 0 63 -34,-0.1 2,-0.4 -10,-0.1 -1,-0.3 -0.957 64.1-132.9-137.5 155.3 21.3 -1.1 6.2 135 136 A I B -B 99 0B 2 -36,-1.7 -36,-1.3 -2,-0.3 2,-0.3 -0.884 12.9-161.6-114.8 142.8 19.0 1.5 4.7 136 137 A N > - 0 0 28 -2,-0.4 4,-2.7 -38,-0.2 5,-0.3 -0.798 45.3 -91.7-115.5 157.8 19.0 5.3 4.8 137 138 A Y H > S+ 0 0 81 -40,-0.4 4,-1.6 -2,-0.3 5,-0.1 0.734 128.5 51.4 -39.1 -25.4 16.2 7.7 4.1 138 139 A E H > S+ 0 0 147 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.963 110.6 41.4 -80.2 -55.8 17.5 7.7 0.5 139 140 A E H > S+ 0 0 11 -3,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.829 117.1 53.0 -61.1 -31.3 17.7 4.0 -0.2 140 141 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.969 103.9 52.9 -67.7 -55.7 14.3 3.6 1.5 141 142 A V H X S+ 0 0 21 -4,-1.6 4,-1.2 -5,-0.3 -2,-0.2 0.862 111.0 49.5 -47.2 -43.4 12.5 6.3 -0.5 142 143 A W H >X S+ 0 0 120 -4,-1.7 4,-1.1 2,-0.2 3,-0.5 0.965 111.4 44.5 -65.3 -55.2 13.6 4.5 -3.7 143 144 A M H 3X S+ 0 0 7 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.829 116.7 47.4 -61.8 -32.4 12.6 1.0 -2.9 144 145 A I H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.715 101.3 66.0 -80.7 -20.9 9.2 2.2 -1.5 145 146 A S H << S+ 0 0 28 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.837 106.0 42.5 -67.7 -32.8 8.7 4.4 -4.6 146 147 A Q H < 0 0 119 -4,-1.1 -1,-0.2 -3,-0.1 -2,-0.2 0.711 360.0 360.0 -84.6 -23.7 8.4 1.3 -6.7 147 148 A K < 0 0 103 -4,-0.7 -3,-0.0 -5,-0.2 -4,-0.0 -0.332 360.0 360.0 -51.5 360.0 6.3 -0.5 -4.1